3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate

C93H111N21O9 — CID 158534120

IUPAC3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate
SMILESCC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CCCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CNC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.COC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1
InChIInChI=1S/C24H29N5O2.C23H28N6O2.C23H27N5O3.C23H27N5O2/c1-16-15-31-12-11-29(16)23-13-22(18-5-4-10-28(14-18)17(2)30)26-24(27-23)20-8-9-25-21-7-3-6-19(20)21;1-15-14-31-11-10-29(15)21-12-20(16-7-9-28(13-16)23(30)24-2)26-22(27-21)18-6-8-25-19-5-3-4-17(18)19;1-15-14-31-11-10-28(15)21-12-20(16-7-9-27(13-16)23(29)30-2)25-22(26-21)18-6-8-24-19-5-3-4-17(18)19;1-15-14-30-11-10-28(15)22-12-21(17-7-9-27(13-17)16(2)29)25-23(26-22)19-6-8-24-20-5-3-4-18(19)20/h3,6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-2H3;3-4,6,8,12,15-16H,5,7,9-11,13-14H2,1-2H3,(H,24,30);3-4,6,8,12,15-16H,5,7,9-11,13-14H2,1-2H3;3-4,6,8,12,15,17H,5,7,9-11,13-14H2,1-2H3/t16-,18?;2*15-,16?;15-,17?/m1111/s1
InChIKeyHNSSAUVLNCZBPO-LDZYJPKNSA-N
MW1667.05 g/mol
LogP11.08
Rot. Bonds12

About 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate

3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate (PubChem CID 158534120) has the molecular formula C93H111N21O9 and a molecular weight of 1667.05 g/mol. Its IUPAC name is 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate
PubChem CID158534120
Molecular FormulaC93H111N21O9
Molecular Weight1667.05 g/mol
Exact Mass1665.89
IUPAC Name3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate
SMILESCC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CCCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CNC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.COC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1
InChIInChI=1S/C24H29N5O2.C23H28N6O2.C23H27N5O3.C23H27N5O2/c1-16-15-31-12-11-29(16)23-13-22(18-5-4-10-28(14-18)17(2)30)26-24(27-23)20-8-9-25-21-7-3-6-19(20)21;1-15-14-31-11-10-29(15)21-12-20(16-7-9-28(13-16)23(30)24-2)26-22(27-21)18-6-8-25-19-5-3-4-17(18)19;1-15-14-31-11-10-28(15)21-12-20(16-7-9-27(13-16)23(29)30-2)25-22(26-21)18-6-8-24-19-5-3-4-17(18)19;1-15-14-30-11-10-28(15)22-12-21(17-7-9-27(13-17)16(2)29)25-23(26-22)19-6-8-24-20-5-3-4-18(19)20/h3,6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-2H3;3-4,6,8,12,15-16H,5,7,9-11,13-14H2,1-2H3,(H,24,30);3-4,6,8,12,15-16H,5,7,9-11,13-14H2,1-2H3;3-4,6,8,12,15,17H,5,7,9-11,13-14H2,1-2H3/t16-,18?;2*15-,16?;15-,17?/m1111/s1
InChIKeyHNSSAUVLNCZBPO-LDZYJPKNSA-N
XLogP11.08
TPSA307.06 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.05
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

US10800774, Example 28
CID 137498309
US10800774, Example 12
CID 137498316
US10800774, Example 13
CID 137498317
US10800774, Example 20
CID 137498320
US10800774, Example 24
CID 137498321
US10800774, Example 18
CID 137498330
US10800774, Example 17
CID 137498354
US10800774, Example 16
CID 137498416
US10800774, Example 15
CID 137498428
US10800774, Example 22
CID 137498429
US10800774, Example 27
CID 137498435
3-Methoxy-1-[3-[6-[(4-methyl-2-pyridinyl)amino]-2-[1-[3-[2-(2-methylpyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethyl]pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 117685495

Frequently Asked Questions

What is the IUPAC name of 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate?
The IUPAC name of 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate (CID 158534120) is 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate is CC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CC(=O)N1CCCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.CNC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.COC(=O)N1CCC(c2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)C1.
What is the InChIKey of 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate?
The InChIKey is HNSSAUVLNCZBPO-LDZYJPKNSA-N. The full InChI is InChI=1S/C24H29N5O2.C23H28N6O2.C23H27N5O3.C23H27N5O2/c1-16-15-31-12-11-29(16)23-13-22(18-5-4-10-28(14-18)17(2)30)26-24(27-23)20-8-9-25-21-7-3-6-19(20)21;1-15-14-31-11-10-29(15)21-12-20(16-7-9-28(13-16)23(30)24-2)26-22(27-21)18-6-8-25-19-5-3-4-17(18)19;1-15-14-31-11-10-28(15)21-12-20(16-7-9-27(13-16)23(29)30-2)25-22(26-21)18-6-8-24-19-5-3-4-17(18)19;1-15-14-30-11-10-28(15)22-12-21(17-7-9-27(13-17)16(2)29)25-23(26-22)19-6-8-24-20-5-3-4-18(19)20/h3,6,8-9,13,16,18H,4-5,7,10-12,14-15H2,1-2H3;3-4,6,8,12,15-16H,5,7,9-11,13-14H2,1-2H3,(H,24,30);3-4,6,8,12,15-16H,5,7,9-11,13-14H2,1-2H3;3-4,6,8,12,15,17H,5,7,9-11,13-14H2,1-2H3/t16-,18?;2*15-,16?;15-,17?/m1111/s1.
What are the key properties of 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate?
3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate has a molecular weight of 1667.05 g/mol, XLogP of 11.08, 12 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylpyrrolidine-1-carboxamide;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;methyl 3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 158534120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).